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CAS 121091-31-4 1,3-dimethylimidazolium tetrafluoroborate molecular structure lightbox
CAS RN: 121091-31-4

1,3-dimethylimidazolium tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100g Out of stock Inquiry
Batchno.20260429 25g Out of stock Inquiry
Batchno.20260210 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100g In stock Shandong Inquiry
Batchno.20250819 1g In stock Shanghai, Shandong Inquiry
Batchno.20250630 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260111 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-022460
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121091-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

121091-31-4 / 1,3-dimethylimidazol-1-ium tetrafluoroborate

1,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate | RefChem:414551 | 962-428-2

Standard CAS: 121091-31-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121091-31-4
Multi CAS
Yes
Molecular Formula
C5H9BF4N2
Molecular Weight
183.950000
Exact Mass
184.079491
SMILES
[B-](F)(F)(F)F.CN1C=C[N+](=C1)C
InChI
InChI=1S/C5H9N2.BF4/c1-6-3-4-7(2)5-6;2-1(3,4)5/h3-5H,1-2H3;/q+1;-1
InChIKey
FBPIPPWLOCMHGR-UHFFFAOYSA-N
Synonyms
1,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate RefChem:414551 962-428-2 1,3-dimethylimidazolium Tetrafluoroborate [C1MIm]BF4

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
36.78
TPSA
8.81

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.15
Consensus LogP
1.1
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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